tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane

C31H66O3Si2 — CID 58822516

IUPACtert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane
SMILESCCC/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C31H66O3Si2/c1-18-19-20-21-23(2)28(33-35(14,15)30(7,8)9)24(3)22-25(4)29(26(5)27(6)32-13)34-36(16,17)31(10,11)12/h20-21,23-29H,18-19,22H2,1-17H3/b21-20-
InChIKeyCTAFTNADCHILEB-MRCUWXFGSA-N
MW543.04 g/mol
LogP10.09
Rot. Bonds15

About tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane

tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane (PubChem CID 58822516) has the molecular formula C31H66O3Si2 and a molecular weight of 543.04 g/mol. Its IUPAC name is tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane
PubChem CID58822516
Molecular FormulaC31H66O3Si2
Molecular Weight543.04 g/mol
Exact Mass542.46
IUPAC Nametert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane
SMILESCCC/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C31H66O3Si2/c1-18-19-20-21-23(2)28(33-35(14,15)30(7,8)9)24(3)22-25(4)29(26(5)27(6)32-13)34-36(16,17)31(10,11)12/h20-21,23-29H,18-19,22H2,1-17H3/b21-20-
InChIKeyCTAFTNADCHILEB-MRCUWXFGSA-N
XLogP10.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.04
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 11045214
CID 11045214
CID 11077915
CID 11077915
CID 25258171
CID 25258171
CID 134837952
CID 134837952
CID 134872746
CID 134872746
CID 134941583
CID 134941583
CID 134979489
CID 134979489
CID 135015376
CID 135015376
CID 138981356
CID 138981356
CID 139263530
CID 139263530
CID 10938591
CID 10938591
CID 101186809
CID 101186809

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane (CID 58822516) is tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane is CCC/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC.
What is the InChIKey of tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane?
The InChIKey is CTAFTNADCHILEB-MRCUWXFGSA-N. The full InChI is InChI=1S/C31H66O3Si2/c1-18-19-20-21-23(2)28(33-35(14,15)30(7,8)9)24(3)22-25(4)29(26(5)27(6)32-13)34-36(16,17)31(10,11)12/h20-21,23-29H,18-19,22H2,1-17H3/b21-20-.
What are the key properties of tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane?
tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane has a molecular weight of 543.04 g/mol, XLogP of 10.09, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethylundec-7-enoxy]-dimethylsilane is sourced from PubChem (CID 58822516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).